6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine

C15H11F3N4O2S — CID 86119317

IUPAC6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)c3ccccc3C(F)(F)F)ccc2n1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)10-3-1-2-4-12(10)25(23,24)8-5-6-11-9(7-8)13(19)22-14(20)21-11/h1-7H,(H4,19,20,21,22)
InChIKeyRARBCNAQEHJIHV-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.65
Rot. Bonds2

About 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine

6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine (PubChem CID 86119317) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine
PubChem CID86119317
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(S(=O)(=O)c3ccccc3C(F)(F)F)ccc2n1
InChIInChI=1S/C15H11F3N4O2S/c16-15(17,18)10-3-1-2-4-12(10)25(23,24)8-5-6-11-9(7-8)13(19)22-14(20)21-11/h1-7H,(H4,19,20,21,22)
InChIKeyRARBCNAQEHJIHV-UHFFFAOYSA-N
XLogP2.65
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine?
The IUPAC name of 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine (CID 86119317) is 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine.
What is the SMILES notation for 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine?
The canonical SMILES for 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine is Nc1nc(N)c2cc(S(=O)(=O)c3ccccc3C(F)(F)F)ccc2n1.
What is the InChIKey of 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine?
The InChIKey is RARBCNAQEHJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c16-15(17,18)10-3-1-2-4-12(10)25(23,24)8-5-6-11-9(7-8)13(19)22-14(20)21-11/h1-7H,(H4,19,20,21,22).
What are the key properties of 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine?
6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine has a molecular weight of 368.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)phenyl]sulfonylquinazoline-2,4-diamine is sourced from PubChem (CID 86119317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).